Molecule

ID:18323

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₄O₂
Molecular Mass
192.17472
Exact Mass
192.06472552
Charge
0
InChI
InChI=1S/C8H8N4O2/c1-4-2-6-10-3-5(8(13)14)7(9)12(6)11-4/h2-3H,9H2,1H3,(H,13,14)
InChIKey
FQGDCFDFDHJJSW-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2n(n1)c(N)c(cn2)C(=O)O
Isomeric Smiles
n12c(c(cnc1cc(n2)C)C(=O)O)N
Calculated Properties
JChem
Acid pKa
4.3709188
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.86052704
LogD (pH = 7.4)
-2.601263
Log P
0.23810443
Molar Refractivity
59.575
Polarizability
17.725426
Polar Surface Area
93.51
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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